Mn3Cr3O8
Mn3Cr3O8 is a semiconducting transition metal oxide being investigated for its potential as an oxygen-evolution catalyst.
About Mn3Cr3O8
Mn3Cr3O8 is a semiconducting oxide that functions as a catalyst for oxygen-evolution reactions. Its composition of manganese, chromium, and oxygen positions it as a specialized material for electrochemical applications where electronic conductivity and structural stability are vital.
As a near-hull compound, it is considered a promising candidate for experimental synthesis. Its presence across multiple structural databases highlights its significance as an emerging material in the study of transition metal oxides for catalytic energy conversion.
Key Properties
Cross-validated computational properties for Mn3Cr3O8, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Mn3Cr3O8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.62 | 0.0109 | -9.114 | 4.94 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0231 | -9.102 | 4.65 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.66 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.10 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.65 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.88 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.88 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.12 |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Mn3Cr3O8 is used.
Frequently Asked Questions
Common questions about Mn3Cr3O8, answered from cross-validated data.
What is Mn3Cr3O8?
Mn3Cr3O8 is a semiconducting transition metal oxide being investigated for its potential as an oxygen-evolution catalyst.
What is Mn3Cr3O8 used for?
What is the band gap of Mn3Cr3O8?
Is Mn3Cr3O8 a metal, semiconductor, or insulator?
Is Mn3Cr3O8 thermodynamically stable?
What is the crystal structure of Mn3Cr3O8?
What is the density of Mn3Cr3O8?
How many polymorphs of Mn3Cr3O8 are known?
What elements does Mn3Cr3O8 contain?
Where does the data for Mn3Cr3O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized lithium-based intercalation oxides such as LiCoO2 or LiMn2O4, Mn3Cr3O8 is specifically categorized for its role in oxygen-evolution catalysis rather than battery cathode performance. While it shares the transition metal oxide framework common to materials like LaMnO3 or NiO, its unique stoichiometry offers a distinct electronic environment that sets it apart from more conventional perovskite or spinel structures in the class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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